Solid Physics ( lectures )

Chapter One   Crystal Structure
Chapter Two   Reciprocal Lattice
Chapter Three   Crystal binding 
Chapter Four   Phonons I. Crystal vibrations
Chapter Five   Phonons II. Thermal Properties
Chapter Six    Free Electron Fermi Gas  
Chapter Seven   Energy bands
Chapter Eight   Semiconductor crystals
Chapter Nine   Fermi surfaces and Metals
Chapter Ten   Superconductivity 
Chapter Eleven   Diamagnetism and Paramagnetism 
Chapter Twelve   Ferromagnetism and Antiferromagnetism  

DENSITY FUNCTIONAL THEORY for calculations on molecules and materials

CHEM6085

Dr Chris-Kriton Skylaris

Lecture 1 Introduction to molecular quantum theory 

Lecture 2 Hamiltonian operators for molecules

Lecture 3 Electronic wave functions and electronic density

Lecture 4 Density instead of the wave function The Hohenberg-Kohn justification 

Lecture 5 Orbital-free (or “pure”) DFT

Lecture 6 Kohn-Sham DFT

Lecture 7 The self-consistent field procedure for Kohn-Sham DFT calculations

Lecture 8 Gaussian basis sets

Lecture 9 Exchange-correlation functionals

Lecture 10 1) Spin-polarised calculations 2) Geometry optimisation 

Lecture 11 DFT for periodic crystalline solids